Information card for entry 4123830

Structure parameters

• Common name: mu_09_128
• Chemical name: mu_09_128
• Formula: C67 H91 Cl2 Cu2 F3 N4 O3 S
• Calculated formula: C67 H91 Cl2 Cu2 F3 N4 O3 S
• Title of publication: Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.
• Authors of publication: Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 24
• Pages of publication: 7747 - 7753
• a: 12.3797 ± 0.0009 Å
• b: 15.7949 ± 0.001 Å
• c: 34.928 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6829.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No